in3 Publications

The following are the in3 peer reviewed papers we have to date. But we have a lot more on the way and we will have a special issue soon in Toxicology in vitro.

1. Caballero-Alfonso, A.Y., Cruz-Monteagudo, M., Tejera, E., Benfenati, E., Borges, F., Cordeiro, M.N.D.S., Armijos-Jaramillo, V., Perez-Castillo, Y., 2019. Ensemble-Based Modeling of Chemical Compounds with Antimalarial Activity. Curr. Top. Med. Chem. 19, 957–969. https://doi.org/10.2174/1568026619666190510100313
2. Chandrasekaran, V., Carta, G., da Costa Pereira, D., Gupta, R., Murphy, C., Feifel, E., Kern, G., Lechner, J., Cavallo, A.L., Gupta, S., Caiment, F., Kleinjans, J.C.S., Gstraunthaler, G., Jennings, P., Wilmes, A., 2021. Generation and characterization of iPSC-derived renal proximal tubule-like cells with extended stability. Sci. Rep. 11. https://doi.org/10.1038/s41598-021-89550-4
3. Chayawan, C., Toma, C., Benfenati, E., Caballero Alfonso, A.Y., 2020. Towards an understanding of the mode of action of human aromatase activity for azoles through quantum chemical descriptors-based regression and structure activity relationship modeling analysis. Molecules 25. https://doi.org/10.3390/molecules25030739
4. Djidrovski, I., Georgiou, M., Hughes, G.L., Patterson, E.I., Casas-Sanchez, A., Pennington, S.H., Biagini, G.A., Moya-Molina, M., van den Bor, J., Smit, M.J., Chung, G., Lako, M., Armstrong, L., 2021. SARS-CoV-2 infects an upper airway model derived from induced pluripotent stem cells. Stem Cells 39, 1310–1321. https://doi.org/10.1002/stem.3422
5. Fransen, L.F.H., Leonard, M.O., 2021. CD34+ derived macrophage and dendritic cells display differential responses to paraquat. Toxicol. Vitr. 75. https://doi.org/10.1016/j.tiv.2021.105198
6. Gadaleta, D., Vuković, K., Toma, C., Lavado, G.J., Karmaus, A.L., Mansouri, K., Kleinstreuer, N.C., Benfenati, E., Roncaglioni, A., 2019. SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data. J. Cheminform. 11. https://doi.org/10.1186/s13321-019-0383-2
7. Lagares, L.M., Minovski, N., Alfonso, A.Y.C., Benfenati, E., Wellens, S., Culot, M., Gosselet, F., Novič, M., 2020. Homology modeling of the human p-glycoprotein (Abcb1) and insights into ligand binding through molecular docking studies. Int. J. Mol. Sci. 21, 1–37. https://doi.org/10.3390/ijms21114058
8. Lagares, L.M., Minovski, N., Novič, M., 2019. Multiclass classifier for P-glycoprotein substrates, inhibitors, and non-active compounds. Molecules 24. https://doi.org/10.3390/molecules24102006
9. Fransen LFH, Leonard MO., 2021. Small Airway Susceptibility to Chemical and Particle Injury. Respiration. 1–13. https://doi.org/10.1159/000519344
10. Lopes, H., Proença, S., 2020. Insights into PCDD/Fs and PAHs in biomass boilers envisaging risks of ash use as fertilizers. Appl. Sci. 10. https://doi.org/10.3390/app10144951
11. Proença, S., Escher, B.I., Fischer, F.C., Fisher, C., Grégoire, S., Hewitt, N.J., Nicol, B., Paini, A., Kramer, N.I., 2021. Effective exposure of chemicals in in vitro cell systems: A review of chemical distribution models. Toxicol. Vitr. 73. https://doi.org/10.1016/j.tiv.2021.105133
12. Rauch, C., Feifel, E., Kern, G., Murphy, C., Meier, F., Parson, W., Beilmann, M., Jennings, P., Gstraunthaler, G., Wilmes, A., 2018. Differentiation of human iPSCs into functional podocytes. PLoS One 13. https://doi.org/10.1371/journal.pone.0203869
13. Singh, P., Chandrasekaran, V., Hardy, B., Wilmes, A., Jennings, P., Exner, T.E., 2021. Temporal transcriptomic alterations of cadmium exposed human iPSC-derived renal proximal tubule-like cells. Toxicol. Vitr. 76. https://doi.org/10.1016/j.tiv.2021.105229
14. Spinu, N., Bal-Price, A., Cronin, M.T.D., Enoch, S.J., Madden, J.C., Worth, A.P., 2019. Development and analysis of an adverse outcome pathway network for human neurotoxicity. Arch. Toxicol. 93, 2759–2772. https://doi.org/10.1007/s00204-019-02551-1
15. Spinu, N., Cronin, M.T.D., Enoch, S.J., Madden, J.C., Worth, A.P., 2020. Quantitative adverse outcome pathway (qAOP) models for toxicity prediction. Arch. Toxicol. 94, 1497–1510. https://doi.org/10.1007/s00204-020-02774-7
16. Vukovic, K., Gadaleta, D., Benfenati, E., 2019. Methodology of AiQSAr: A group-specific approach to QSAR modelling. J. Cheminform. 11. https://doi.org/10.1186/s13321-019-0350-y
17. Wellens, S., Dehouck, L., Chandrasekaran, V., Singh, P., Loiola, R.A., Sevin, E., Exner, T., Jennings, P., Gosselet, F., Culot, M., 2021. Evaluation of a human iPSC-derived BBB model for repeated dose toxicity testing with cyclosporine A as model compound. Toxicol. Vitr. 73. https://doi.org/10.1016/j.tiv.2021.105112
18. Pamies D, Sartori C, Schvartz D, González-Ruiz V, Pellerin L, Nunes C, Tavel D, Maillard V, Boccard J, Rudaz S, Sanchez JC, Zurich MG. Neuroinflammatory Response to TNFα and IL1β Cytokines Is Accompanied by an Increase in Glycolysis in Human Astrocytes In Vitro. Int J Mol Sci. 2021 Apr 14;22(8):4065. doi: 10.3390/ijms22084065. PMID: 33920048

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